smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=C(O)c1ccc2ncc(C(=O)C=C(O)C(=O)[O-])c(O)c2c1 ZINC000101083057 209220716 /nfs/dbraw/zinc/22/07/16/209220716.db2.gz BFJBLHQIHXGRDD-VQCVYIJISA-N -2 2 373.273 1.046 1 30 FDEFLL